==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-DEC-10 3PV5 . COMPND 2 MOLECULE: DEGQ; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA FALLONII; . AUTHOR R.WRASE,H.SCOTT,R.HILGENFELD,G.HANSEN . 1538 19 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 72326.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1072 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 528 34.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 13 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 18 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 135 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 137 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 8 4 3 5 4 3 2 3 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 11 21 18 18 12 4 4 7 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 6 4 4 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 6 A M 0 0 211 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.1 1.5 -8.5 14.9 2 7 A P + 0 0 130 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.312 360.0 151.5 -72.2 153.3 3.1 -5.6 16.8 3 8 A S - 0 0 62 -2,-0.0 4,-0.3 1,-0.0 0, 0.0 -0.945 50.4-132.4-175.8 146.0 5.3 -6.3 19.9 4 9 A M S > S+ 0 0 59 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.418 84.6 100.0 -87.2 -2.5 8.2 -4.7 21.7 5 10 A A H > S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.839 75.0 51.7 -59.1 -40.4 9.9 -8.1 21.7 6 11 A P H > S+ 0 0 78 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.976 113.1 42.4 -67.0 -47.9 12.2 -7.6 18.8 7 12 A V H > S+ 0 0 40 -4,-0.3 4,-1.2 1,-0.2 -2,-0.2 0.901 115.6 50.1 -64.2 -36.7 13.7 -4.3 20.0 8 13 A L H X S+ 0 0 20 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.854 102.1 59.7 -70.9 -33.0 14.1 -5.6 23.6 9 14 A K H < S+ 0 0 157 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.930 108.1 47.1 -63.6 -40.9 15.8 -8.8 22.7 10 15 A N H < S+ 0 0 123 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.783 119.1 37.7 -64.5 -33.9 18.6 -6.8 21.1 11 16 A I H >< S+ 0 0 13 -4,-1.2 3,-2.1 1,-0.1 4,-0.4 0.734 90.9 87.5 -99.9 -15.8 19.1 -4.3 23.9 12 17 A M G >< S+ 0 0 33 -4,-2.6 3,-1.9 1,-0.3 50,-0.1 0.804 80.3 61.8 -50.7 -40.0 18.6 -6.5 26.9 13 18 A P G 3 S+ 0 0 26 0, 0.0 49,-0.4 0, 0.0 -1,-0.3 0.828 94.4 67.1 -61.2 -21.7 22.3 -7.7 27.1 14 19 A A G < S+ 0 0 0 -3,-2.1 22,-2.6 78,-0.2 2,-0.4 0.702 89.5 78.2 -70.5 -18.1 23.1 -4.0 27.7 15 20 A I E < +A 35 0A 2 -3,-1.9 47,-0.3 -4,-0.4 2,-0.3 -0.766 65.0 179.6 -99.8 140.4 21.3 -4.1 31.0 16 21 A V E -A 34 0A 0 18,-2.3 18,-1.6 -2,-0.4 2,-0.4 -0.795 28.8-108.1-137.4 169.4 22.9 -5.6 34.0 17 22 A N E -AB 33 60A 13 43,-2.2 43,-1.6 -2,-0.3 2,-0.5 -0.799 24.4-157.5-102.4 142.1 22.6 -6.4 37.6 18 23 A V E -AB 32 59A 0 14,-3.0 14,-2.4 -2,-0.4 2,-0.4 -0.966 9.9-175.2-126.7 113.7 24.6 -4.5 40.2 19 24 A A E -AB 31 58A 12 39,-2.4 39,-2.3 -2,-0.5 2,-0.4 -0.901 4.7-170.4-115.9 138.1 25.2 -6.1 43.6 20 25 A V E -AB 30 57A 0 10,-2.4 10,-1.0 -2,-0.4 2,-0.4 -0.961 11.4-170.4-134.1 139.0 26.9 -4.3 46.5 21 26 A Q E +AB 29 56A 23 35,-2.2 34,-2.9 -2,-0.4 35,-2.1 -0.973 31.5 121.5-125.1 144.6 28.3 -5.3 49.9 22 27 A G E -AB 28 54A 3 6,-1.7 6,-2.3 -2,-0.4 2,-0.3 -0.943 54.2 -91.2-171.8-171.4 29.4 -2.8 52.5 23 28 A Y E A 27 0A 153 30,-0.7 4,-0.2 -2,-0.3 -2,-0.0 -0.974 360.0 360.0-127.3 145.4 29.1 -1.3 55.9 24 29 A L 0 0 142 2,-2.3 29,-0.0 -2,-0.3 3,-0.0 -0.255 360.0 360.0 -84.8 360.0 26.8 1.6 56.8 25 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 26 61 A R 0 0 237 0, 0.0 -2,-2.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 133.5 26.8 -2.7 60.1 27 62 A K E -A 23 0A 111 -4,-0.2 2,-0.3 -6,-0.0 -4,-0.3 -0.394 360.0-177.7 -73.0 147.6 27.2 -4.8 56.9 28 63 A F E -A 22 0A 40 -6,-2.3 -6,-1.7 -2,-0.1 2,-0.3 -0.947 20.3-146.9-143.2 156.5 24.5 -4.4 54.2 29 64 A E E +A 21 0A 122 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.2 -0.800 20.5 170.2-115.8 167.3 23.5 -5.8 50.8 30 65 A S E -A 20 0A 38 -10,-1.0 -10,-2.4 -2,-0.3 2,-0.4 -0.879 10.5-165.2-177.8 136.7 21.8 -3.9 48.1 31 66 A I E +A 19 0A 49 -2,-0.3 2,-0.2 -12,-0.2 -12,-0.2 -0.997 18.5 144.6-138.8 142.2 21.1 -4.6 44.5 32 67 A G E -A 18 0A 6 -14,-2.4 -14,-3.0 -2,-0.4 2,-0.2 -0.729 40.9 -89.8-149.4-158.3 20.0 -2.5 41.5 33 68 A S E -A 17 0A 0 120,-2.6 14,-0.4 -16,-0.3 2,-0.3 -0.659 27.0-165.2-122.1 175.9 20.6 -2.4 37.8 34 69 A G E -A 16 0A 0 -18,-1.6 -18,-2.3 -2,-0.2 2,-0.4 -0.946 13.4-133.7-156.9 160.0 23.1 -0.7 35.5 35 70 A V E -AC 15 45A 0 10,-2.3 10,-3.1 -2,-0.3 2,-0.9 -0.986 16.2-130.7-127.5 139.2 23.4 0.1 31.8 36 71 A I E + C 0 44A 2 -22,-2.6 57,-0.4 -2,-0.4 8,-0.2 -0.778 30.6 168.0 -90.3 116.4 26.4 -0.5 29.6 37 72 A I E S+ 0 0 39 6,-1.9 -1,-0.2 -2,-0.9 7,-0.2 0.627 71.6 34.6-104.5 -15.4 27.0 2.6 27.6 38 73 A D E >> - C 0 43A 51 5,-1.5 5,-1.8 53,-0.1 4,-1.2 -0.848 59.9-179.1-136.7 101.2 30.5 1.8 26.2 39 74 A P T 45S+ 0 0 37 0, 0.0 51,-0.2 0, 0.0 48,-0.1 0.835 80.8 60.6 -72.5 -27.4 31.0 -1.9 25.3 40 75 A N T 45S+ 0 0 142 1,-0.2 47,-0.1 2,-0.1 49,-0.0 0.851 118.7 26.2 -69.7 -30.5 34.6 -1.4 24.2 41 76 A N T 45S- 0 0 92 -3,-0.4 44,-0.2 2,-0.1 -1,-0.2 0.385 105.8-114.2-116.3 4.4 35.8 -0.1 27.6 42 77 A G T <5 + 0 0 1 -4,-1.2 43,-1.4 1,-0.2 2,-0.7 0.858 52.6 166.9 75.0 31.1 33.3 -1.7 30.0 43 78 A V E < -CD 38 84A 9 -5,-1.8 -6,-1.9 41,-0.2 -5,-1.5 -0.786 10.2-176.8 -93.7 114.3 31.7 1.5 31.1 44 79 A I E -CD 36 83A 0 39,-2.8 39,-3.2 -2,-0.7 2,-0.5 -0.913 14.1-148.6-108.0 140.5 28.5 1.0 33.0 45 80 A I E +CD 35 82A 3 -10,-3.1 -10,-2.3 -2,-0.4 2,-0.2 -0.880 28.6 148.5-105.4 131.4 26.0 3.6 34.5 46 81 A T E - D 0 81A 0 35,-2.3 35,-2.0 -2,-0.5 2,-0.3 -0.786 51.0 -76.7-132.7-171.8 24.0 3.1 37.6 47 82 A N >> - 0 0 0 -14,-0.4 3,-1.5 33,-0.2 4,-1.1 -0.708 31.9-127.0 -85.0 147.8 22.6 5.5 40.3 48 83 A D H 3> S+ 0 0 14 -2,-0.3 4,-1.5 1,-0.3 3,-0.3 0.856 110.4 58.1 -58.0 -39.3 24.9 6.8 43.0 49 84 A H H 34 S+ 0 0 63 1,-0.2 -1,-0.3 30,-0.2 31,-0.1 0.720 98.1 60.7 -70.2 -18.0 22.6 5.6 45.7 50 85 A V H <4 S+ 0 0 5 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.940 117.3 28.9 -69.7 -38.3 22.9 2.0 44.4 51 86 A I H >< S+ 0 0 8 -4,-1.1 3,-1.6 -3,-0.3 -2,-0.2 0.467 85.8 125.8-106.3 -3.4 26.7 1.9 45.0 52 87 A R T 3< S+ 0 0 107 -4,-1.5 -5,-0.0 1,-0.3 -3,-0.0 -0.175 80.0 15.2 -55.8 149.8 27.2 4.3 48.0 53 88 A N T 3 S+ 0 0 103 1,-0.2 -30,-0.7 -31,-0.1 2,-0.3 0.582 92.5 156.5 61.4 15.2 29.0 2.8 51.0 54 89 A A E < +B 22 0A 35 -3,-1.6 -32,-0.3 -32,-0.2 -1,-0.2 -0.505 30.3 171.3 -75.3 131.9 30.2 -0.1 48.8 55 90 A S E S+ 0 0 78 -34,-2.9 2,-0.4 1,-0.3 -33,-0.2 0.721 81.9 30.1 -94.0 -30.2 33.3 -2.1 49.7 56 91 A L E -B 21 0A 28 -35,-2.1 -35,-2.2 2,-0.0 2,-0.4 -0.991 63.0-176.7-130.2 133.5 32.4 -4.7 46.9 57 92 A I E -B 20 0A 16 12,-0.4 12,-3.2 -2,-0.4 2,-0.4 -0.951 5.6-176.6-131.6 119.2 30.5 -4.2 43.6 58 93 A T E -BE 19 68A 6 -39,-2.3 -39,-2.4 -2,-0.4 2,-0.4 -0.953 11.2-154.6-118.8 122.6 29.7 -7.2 41.3 59 94 A V E -BE 18 67A 0 8,-2.5 8,-4.0 -2,-0.4 2,-0.5 -0.770 5.5-160.4 -92.6 127.6 28.1 -6.9 37.9 60 95 A T E -BE 17 66A 11 -43,-1.6 -43,-2.2 -2,-0.4 6,-0.2 -0.973 11.5-152.1-107.5 124.2 26.1 -9.9 36.5 61 96 A L > - 0 0 8 4,-2.2 3,-1.6 -2,-0.5 -45,-0.1 -0.600 28.5-111.2 -89.7 159.2 25.6 -9.9 32.8 62 97 A Q T 3 S+ 0 0 92 -49,-0.4 -1,-0.1 -47,-0.3 -48,-0.1 0.852 117.9 63.2 -54.2 -38.3 22.6 -11.6 30.9 63 98 A D T 3 S- 0 0 85 -50,-0.1 -1,-0.3 1,-0.1 58,-0.0 0.558 121.6-104.2 -66.9 -11.8 25.3 -14.1 29.6 64 99 A G S < S+ 0 0 36 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.092 72.6 136.6 116.4 -25.6 26.0 -15.4 33.0 65 100 A R - 0 0 62 -5,-0.1 -4,-2.2 1,-0.1 2,-0.6 -0.321 40.7-153.7 -62.2 132.5 29.4 -13.8 33.9 66 101 A R E -E 60 0A 77 -6,-0.2 2,-0.4 -8,-0.0 -6,-0.2 -0.961 25.0-170.1-104.1 112.4 29.6 -12.4 37.5 67 102 A L E -E 59 0A 22 -8,-4.0 -8,-2.5 -2,-0.6 2,-0.2 -0.867 26.1-122.1-115.6 135.0 32.3 -9.6 37.2 68 103 A K E -E 58 0A 99 -2,-0.4 18,-0.4 -10,-0.2 2,-0.3 -0.494 37.6-152.8 -67.1 129.0 34.2 -7.5 39.8 69 104 A A - 0 0 12 -12,-3.2 2,-0.4 -2,-0.2 -12,-0.4 -0.849 7.8-143.5-114.4 151.0 33.5 -3.9 39.1 70 105 A R E -F 84 0A 133 14,-3.3 14,-3.0 -2,-0.3 2,-0.7 -0.919 15.9-129.4-103.8 139.2 35.4 -0.7 39.8 71 106 A L E +F 83 0A 81 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.754 22.1 179.7 -79.0 113.8 33.9 2.7 40.7 72 107 A I E - 0 0 41 10,-2.1 2,-0.2 -2,-0.7 11,-0.2 0.740 64.4 -54.0 -81.0 -33.1 35.4 5.3 38.5 73 108 A G E -F 82 0A 6 9,-1.3 9,-2.8 -3,-0.1 -1,-0.3 -0.635 48.5-144.7 163.6 151.4 33.3 8.0 40.2 74 109 A G E -F 81 0A 25 123,-0.3 2,-0.4 7,-0.3 7,-0.3 -0.861 6.0-149.4-129.1 168.0 29.9 9.1 41.3 75 110 A D E > -F 80 0A 13 5,-3.1 5,-1.8 -2,-0.3 4,-0.5 -0.886 4.7-167.2-140.4 98.2 27.8 12.3 41.7 76 111 A S T 5S+ 0 0 82 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.730 83.2 60.8 -64.9 -22.4 25.3 12.3 44.5 77 112 A E T 5S+ 0 0 129 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.943 115.8 31.6 -74.8 -45.9 23.4 15.4 43.3 78 113 A T T 5S- 0 0 17 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.389 109.8-126.9 -82.8 1.2 22.5 14.0 39.9 79 114 A D T 5 + 0 0 29 -4,-0.5 2,-0.3 1,-0.2 -3,-0.2 0.845 63.8 131.3 51.4 41.9 22.3 10.5 41.5 80 115 A L E < - F 0 75A 1 -5,-1.8 -5,-3.1 -33,-0.3 2,-0.3 -0.835 33.9-176.4-121.6 154.2 24.6 9.0 39.0 81 116 A A E -DF 46 74A 0 -35,-2.0 -35,-2.3 -2,-0.3 2,-0.4 -0.973 15.6-143.2-152.2 138.5 27.7 6.7 39.3 82 117 A V E -DF 45 73A 2 -9,-2.8 -10,-2.1 -2,-0.3 -9,-1.3 -0.917 19.2-169.6-110.5 136.1 30.0 5.3 36.6 83 118 A L E -DF 44 71A 0 -39,-3.2 -39,-2.8 -2,-0.4 2,-0.4 -0.911 11.3-149.7-127.6 151.4 31.5 1.8 36.8 84 119 A K E +DF 43 70A 48 -14,-3.0 -14,-3.3 -2,-0.3 2,-0.3 -0.967 11.8 178.6-119.7 136.9 34.2 -0.1 34.9 85 120 A I - 0 0 1 -43,-1.4 2,-0.7 -2,-0.4 -16,-0.1 -0.965 26.5-134.4-125.0 145.6 34.4 -3.9 34.3 86 121 A D + 0 0 118 -18,-0.4 2,-0.3 -2,-0.3 -18,-0.1 -0.901 57.8 113.2-104.1 109.9 37.2 -5.4 32.4 87 122 A A - 0 0 28 -2,-0.7 2,-0.2 -48,-0.1 3,-0.2 -0.965 49.8-133.7-171.5 154.2 35.6 -7.9 29.9 88 123 A K S S+ 0 0 179 -2,-0.3 -48,-0.1 1,-0.2 -47,-0.0 -0.502 75.7 51.5-114.2-175.7 35.1 -8.5 26.2 89 124 A N S S+ 0 0 121 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.978 76.0 157.5 49.2 57.3 32.2 -9.4 24.1 90 125 A L - 0 0 20 -51,-0.2 2,-0.4 -3,-0.2 -1,-0.2 -0.867 29.5-146.8-112.4 151.0 30.0 -6.8 25.6 91 126 A K + 0 0 105 -2,-0.4 -55,-0.2 -78,-0.2 2,-0.2 -0.907 18.5 167.5-117.0 146.7 26.9 -5.2 24.2 92 127 A S - 0 0 27 -2,-0.4 2,-0.3 -55,-0.1 -78,-0.2 -0.442 24.4-122.7-126.6-153.4 25.3 -1.7 24.5 93 128 A L - 0 0 19 -57,-0.4 2,-0.3 -2,-0.2 70,-0.1 -0.952 38.1 -71.6-150.2 167.6 22.5 0.1 22.6 94 129 A V - 0 0 91 -2,-0.3 70,-2.6 68,-0.2 2,-0.2 -0.487 46.8-136.9 -70.1 128.8 21.9 3.2 20.7 95 130 A I B -g 164 0B 52 -2,-0.3 2,-0.2 68,-0.2 70,-0.1 -0.620 27.1-160.0 -79.2 142.9 22.0 6.3 23.0 96 131 A G - 0 0 8 68,-2.4 2,-0.7 -2,-0.2 -1,-0.0 -0.579 22.4 -94.9-119.0-173.5 19.2 8.8 22.1 97 132 A D > - 0 0 63 -2,-0.2 3,-1.2 1,-0.1 68,-0.1 -0.902 24.1-169.5-111.0 112.1 18.4 12.4 22.7 98 133 A S G > S+ 0 0 14 -2,-0.7 3,-0.8 1,-0.3 -1,-0.1 0.534 81.4 72.6 -80.6 -8.1 16.3 13.0 25.7 99 134 A D G 3 S+ 0 0 92 1,-0.2 -1,-0.3 83,-0.0 164,-0.0 0.665 93.5 61.4 -69.8 -19.3 15.6 16.6 24.7 100 135 A K G < S+ 0 0 163 -3,-1.2 -1,-0.2 2,-0.0 -2,-0.2 0.383 79.1 117.3 -91.1 -0.8 13.3 15.1 22.0 101 136 A L < - 0 0 15 -3,-0.8 2,-0.4 64,-0.1 32,-0.0 -0.458 43.0-165.6 -72.2 142.1 10.9 13.3 24.3 102 137 A E > - 0 0 129 -2,-0.2 3,-2.6 30,-0.0 28,-0.4 -0.973 32.2-100.0-128.5 146.6 7.2 14.1 24.5 103 138 A V T 3 S+ 0 0 86 -2,-0.4 28,-0.2 1,-0.3 3,-0.1 -0.363 113.5 36.9 -51.6 124.6 4.4 13.3 26.8 104 139 A G T 3 S+ 0 0 38 26,-2.1 -1,-0.3 1,-0.4 2,-0.2 0.166 81.7 128.1 107.5 -16.9 2.6 10.4 25.1 105 140 A D < - 0 0 61 -3,-2.6 25,-2.2 25,-0.1 -1,-0.4 -0.491 62.9-114.5 -71.6 141.6 5.6 8.6 23.6 106 141 A F E +H 129 0B 112 23,-0.2 54,-0.9 -2,-0.2 2,-0.3 -0.640 41.1 176.3 -78.6 138.3 5.7 4.9 24.4 107 142 A V E -HI 128 159B 1 21,-2.6 21,-2.1 -2,-0.3 2,-0.4 -0.892 23.4-145.1-134.5 163.5 8.6 3.7 26.6 108 143 A V E -HI 127 158B 4 50,-2.2 50,-2.8 -2,-0.3 2,-0.5 -0.999 9.9-152.6-132.2 131.2 9.9 0.6 28.3 109 144 A A E -HI 126 157B 11 17,-2.5 17,-1.9 -2,-0.4 2,-0.5 -0.944 12.7-164.3 -99.3 125.1 11.7 0.6 31.6 110 145 A I E +HI 125 156B 0 46,-3.3 46,-1.5 -2,-0.5 15,-0.2 -0.948 41.6 90.4-118.6 118.3 14.1 -2.4 31.9 111 146 A G 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31.1 35.5 59.5 342 386 A A H > S+ 0 0 10 -2,-0.3 4,-1.5 -33,-0.3 53,-0.4 0.809 116.4 58.1 -52.7 -29.8 33.7 37.5 61.3 343 387 A G H 4>S+ 0 0 0 -31,-0.5 5,-2.2 2,-0.2 4,-0.4 0.886 105.4 44.6 -70.4 -42.8 30.7 39.1 63.0 344 388 A W H >45S+ 0 0 44 -6,-0.5 3,-3.3 -3,-0.4 -2,-0.2 0.992 111.4 54.2 -65.3 -54.0 29.3 35.9 64.3 345 389 A R H 3<5S+ 0 0 31 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.814 107.1 51.7 -47.5 -35.7 32.7 34.7 65.5 346 390 A A T 3<5S- 0 0 26 -4,-1.5 47,-0.4 -5,-0.2 -1,-0.3 0.606 128.4 -96.9 -78.4 -10.0 33.1 38.0 67.5 347 391 A G T < 5S+ 0 0 19 -3,-3.3 -3,-0.2 -4,-0.4 2,-0.2 0.313 71.2 147.7 112.5 -6.9 29.7 37.5 69.2 348 392 A I < - 0 0 3 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.461 24.1-174.9 -65.2 130.1 27.2 39.6 67.0 349 393 A R > - 0 0 75 -2,-0.2 3,-2.3 -15,-0.0 -15,-0.3 -0.945 34.9 -86.0-124.1 153.1 23.7 38.1 66.8 350 394 A P T 3 S+ 0 0 65 0, 0.0 -15,-0.2 0, 0.0 3,-0.1 -0.193 116.1 38.0 -44.9 131.1 20.5 38.8 65.0 351 395 A G T 3 S+ 0 0 44 -17,-4.0 35,-0.4 1,-0.4 2,-0.3 0.238 86.8 130.0 104.0 -13.8 18.5 41.4 67.0 352 396 A D < - 0 0 2 -3,-2.3 -18,-3.8 -18,-0.3 2,-0.6 -0.557 51.0-144.2 -71.3 137.7 21.6 43.3 68.0 353 397 A I E -WX 333 384F 13 31,-2.2 31,-2.0 -2,-0.3 2,-0.7 -0.907 6.3-148.1 -99.4 116.4 21.7 47.0 67.5 354 398 A I E +WX 332 383F 1 -22,-3.3 -22,-2.6 -2,-0.6 29,-0.2 -0.757 25.7 167.9 -83.4 114.5 25.1 48.3 66.4 355 399 A I E + 0 0 40 27,-2.3 7,-1.5 -2,-0.7 2,-0.3 0.592 62.0 18.7-108.1 -17.6 25.2 51.9 68.0 356 400 A S E -YX 361 382F 8 26,-1.4 26,-2.2 5,-0.2 2,-0.4 -0.997 53.7-163.2-150.0 157.8 28.8 52.6 67.5 357 401 A A E > S-YX 360 381F 0 3,-2.9 3,-2.1 -2,-0.3 24,-0.2 -0.998 84.8 -7.3-134.1 128.7 31.8 51.5 65.4 358 402 A N T 3 S- 0 0 22 22,-3.1 -1,-0.1 -2,-0.4 23,-0.1 0.903 131.0 -57.5 47.2 47.6 35.5 52.4 66.4 359 403 A K T 3 S+ 0 0 98 21,-0.3 -1,-0.3 1,-0.2 22,-0.1 0.332 116.4 116.8 69.6 -2.1 33.9 54.6 69.1 360 404 A K E < S-Y 357 0F 98 -3,-2.1 -3,-2.9 1,-0.1 -1,-0.2 -0.771 70.7-104.4-101.7 138.8 32.0 56.6 66.5 361 405 A P E -Y 356 0F 107 0, 0.0 2,-0.5 0, 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155.5 32.8 43.3 70.6 393 437 A L E -Z 380 0F 19 -47,-0.4 2,-0.6 -2,-0.3 -13,-0.2 -0.969 13.0-158.6-120.7 122.2 35.9 43.0 68.4 394 438 A V E Z 379 0F 1 -15,-2.6 -15,-2.3 -2,-0.5 -51,-0.1 -0.859 360.0 360.0-101.5 121.1 35.6 41.9 64.9 395 439 A I 0 0 71 -2,-0.6 -17,-0.2 -53,-0.4 -49,-0.1 -0.809 360.0 360.0-120.5 360.0 38.7 40.5 63.4 396 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 397 7 B P 0 0 163 0, 0.0 880,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 179.1 57.7 14.3 93.0 398 8 B S - 0 0 42 878,-0.1 878,-0.2 925,-0.0 877,-0.1 -0.914 360.0-136.5-157.8 170.8 55.8 11.2 91.8 399 9 B M S > S+ 0 0 18 876,-1.2 4,-1.9 -2,-0.3 5,-0.2 0.434 80.1 97.4-116.9 -5.8 54.3 8.0 93.2 400 10 B A H > S+ 0 0 3 875,-0.2 4,-2.1 1,-0.2 874,-0.1 0.757 74.6 60.5 -50.9 -37.2 55.7 5.7 90.5 401 11 B P H > S+ 0 0 73 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.992 110.4 37.1 -66.6 -53.7 58.7 4.5 92.5 402 12 B V H >> S+ 0 0 41 1,-0.2 4,-1.6 2,-0.2 3,-0.5 0.873 116.9 52.8 -62.5 -35.0 56.8 2.9 95.3 403 13 B L H 3X S+ 0 0 2 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.897 99.0 65.7 -68.9 -34.5 54.1 1.6 93.1 404 14 B K H 3< S+ 0 0 108 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.843 107.2 39.4 -51.2 -40.7 56.6 -0.1 90.9 405 15 B N H << S+ 0 0 121 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.848 118.1 44.9 -83.4 -36.2 57.7 -2.5 93.6 406 16 B I H >< S+ 0 0 17 -4,-1.6 3,-1.8 1,-0.2 4,-0.3 0.694 90.3 83.6 -85.5 -15.7 54.3 -3.3 95.2 407 17 B M G >< S+ 0 0 23 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.865 81.0 62.3 -55.8 -42.2 52.3 -3.8 92.0 408 18 B P G 3 S+ 0 0 28 0, 0.0 49,-0.4 0, 0.0 78,-0.3 0.786 92.8 70.0 -56.8 -18.8 53.4 -7.4 91.5 409 19 B A G < S+ 0 0 0 -3,-1.8 22,-2.8 78,-0.2 2,-0.4 0.644 86.4 79.0 -65.7 -14.7 51.6 -8.1 94.9 410 20 B I E < -F 430 0G 3 -3,-2.0 2,-0.2 -4,-0.3 20,-0.2 -0.818 63.5-175.0-110.7 137.8 48.2 -7.5 93.4 411 21 B V E -F 429 0G 0 18,-2.4 18,-1.6 -2,-0.4 2,-0.4 -0.736 28.5-112.7-133.3 162.2 46.4 -10.2 91.4 412 22 B N E -FG 428 455G 36 43,-2.1 43,-1.4 -2,-0.2 2,-0.5 -0.805 27.8-156.9 -92.6 141.5 43.3 -10.8 89.3 413 23 B V E -FG 427 454G 0 14,-2.7 14,-2.0 -2,-0.4 2,-0.4 -0.940 10.5-173.4-124.1 106.9 41.0 -13.3 90.8 414 24 B A E -FG 426 453G 12 39,-3.4 39,-2.9 -2,-0.5 2,-0.4 -0.879 3.4-171.6-106.6 136.3 38.7 -15.1 88.4 415 25 B V E -FG 425 452G 2 10,-2.5 10,-1.7 -2,-0.4 2,-0.3 -0.967 9.1-176.5-130.6 140.0 35.9 -17.4 89.5 416 26 B Q E +FG 424 451G 97 35,-2.3 34,-2.7 -2,-0.4 35,-2.2 -0.975 28.6 105.1-132.6 143.2 33.5 -19.7 87.8 417 27 B G E -FG 423 449G 1 6,-1.9 6,-2.7 -2,-0.3 2,-0.3 -0.962 53.5 -67.6-179.2-154.9 30.6 -21.8 89.3 418 28 B Y - 0 0 142 30,-0.7 -2,-0.0 -2,-0.3 6,-0.0 -0.924 31.0-137.6-130.5 153.0 26.8 -22.4 89.8 419 29 B L 0 0 114 -2,-0.3 29,-0.0 1,-0.1 -2,-0.0 -0.849 360.0 360.0-114.1 138.8 24.0 -20.7 91.7 420 30 B P 0 0 163 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.261 360.0 360.0 -92.4 360.0 21.1 -21.9 93.9 421 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 422 62 B K 0 0 161 0, 0.0 2,-0.3 0, 0.0 -4,-0.3 0.000 360.0 360.0 360.0 126.9 26.0 -20.9 86.1 423 63 B F E -F 417 0G 38 -6,-2.7 -6,-1.9 2,-0.0 2,-0.3 -0.955 360.0-136.0-155.9 163.9 28.0 -17.7 86.5 424 64 B E E +F 416 0G 146 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.2 -0.932 20.0 178.1-131.3 157.9 31.3 -15.8 86.4 425 65 B S E -F 415 0G 33 -10,-1.7 -10,-2.5 -2,-0.3 2,-0.3 -0.978 5.3-167.8-163.0 125.8 32.7 -13.3 88.9 426 66 B I E +F 414 0G 79 -2,-0.3 2,-0.2 -12,-0.2 -12,-0.2 -0.972 19.2 136.4-136.3 153.8 36.0 -11.4 89.0 427 67 B G E -F 413 0G 5 -14,-2.0 -14,-2.7 -2,-0.3 2,-0.3 -0.760 41.9 -97.3-163.1-167.5 37.9 -9.4 91.5 428 68 B S E -F 412 0G 0 112,-2.8 14,-0.4 -16,-0.3 2,-0.3 -0.808 24.9-160.6-128.0 174.5 41.4 -8.9 92.7 429 69 B G E -F 411 0G 0 -18,-1.6 -18,-2.4 -2,-0.3 2,-0.4 -0.921 14.1-128.2-150.0 167.1 43.5 -10.1 95.6 430 70 B V E -FH 410 440G 0 10,-2.6 10,-3.2 -2,-0.3 2,-1.0 -0.988 18.1-130.7-126.5 136.2 46.7 -9.2 97.4 431 71 B I E + H 0 439G 1 -22,-2.8 57,-0.3 -2,-0.4 8,-0.3 -0.782 30.0 171.2 -85.6 109.7 49.5 -11.5 98.1 432 72 B I E S+ 0 0 37 6,-1.9 -1,-0.2 -2,-1.0 7,-0.2 0.577 72.2 34.4 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